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132839-92-0 | Propanoic acid, 3-(acetyloxy)-3-cyano-, ethyl ester
CAS No: 132839-92-0 Catalog No: AG001193 MDL No:
Product Description
Catalog Number:
AG001193
Chemical Name:
Propanoic acid, 3-(acetyloxy)-3-cyano-, ethyl ester
CAS Number:
132839-92-0
Molecular Formula:
C8H11NO4
Molecular Weight:
185.1772
IUPAC Name:
ethyl 3-acetyloxy-3-cyanopropanoate
InChI:
InChI=1S/C8H11NO4/c1-3-12-8(11)4-7(5-9)13-6(2)10/h7H,3-4H2,1-2H3
InChI Key:
OTKKOTCQWGPKCY-UHFFFAOYSA-N
SMILES:
CCOC(=O)CC(OC(=O)C)C#N
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.069g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.179g/mol
Monoisotopic Mass:
185.069g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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